N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)

C183H376F3N37O16 — CID 159322599

About N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)

N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine) (PubChem CID 159322599) has the molecular formula C183H376F3N37O16 and a molecular weight of 3408.26 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine).

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)
• PubChem CID: 159322599
• Molecular Formula: C183H376F3N37O16
• Molecular Weight: 3408.26 g/mol
• Exact Mass: 3405.97
• IUPAC Name: N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)
• SMILES: CC(C)CNCCN1CCCCC1.CC(C)N.CC(C)N.CC(C)N.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CN(C)C1.CC(C)NC(=O)CC1CN(C)C1.CC(C)NC(=O)CC1CN(C)C1.CCN(CC)CCNC(=O)C(C)C
• InChI: InChI=1S/6C11H22N2O.C11H24N2.3C10H19FN2O.3C10H20N2O.C10H22N2O.3C9H18N2O.3C3H9N/c3*1-9(2)12-11(14)8-10-4-6-13(3)7-5-10;3*1-9(2)12-11(14)7-10-5-4-6-13(3)8-10;1-11(2)10-12-6-9-13-7-4-3-5-8-13;3*1-8(2)13-9(14)7-10(11)3-5-12-6-4-10;3*1-8(2)11-10(13)6-9-4-5-12(3)7-9;1-5-12(6-2)8-7-11-10(13)9(3)4;3*1-7(2)10-9(12)4-8-5-11(3)6-8;3*1-3(2)4/h6*9-10H,4-8H2,1-3H3,(H,12,14);11-12H,3-10H2,1-2H3;3*8,12H,3-7H2,1-2H3,(H,13,14);3*8-9H,4-7H2,1-3H3,(H,11,13);9H,5-8H2,1-4H3,(H,11,13);3*7-8H,4-6H2,1-3H3,(H,10,12);3*3H,4H2,1-2H3
• InChIKey: LDYMYTMKRISOMP-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 637.14 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 37
• Rotatable Bonds: 56
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3408.26
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)?

The IUPAC name of N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine) (CID 159322599) is N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine).

What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)?

The canonical SMILES for N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine) is CC(C)CNCCN1CCCCC1.CC(C)N.CC(C)N.CC(C)N.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1(F)CCNCC1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CN(C)C1.CC(C)NC(=O)CC1CN(C)C1.CC(C)NC(=O)CC1CN(C)C1.CCN(CC)CCNC(=O)C(C)C.

What is the InChIKey of N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)?

The InChIKey is LDYMYTMKRISOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/6C11H22N2O.C11H24N2.3C10H19FN2O.3C10H20N2O.C10H22N2O.3C9H18N2O.3C3H9N/c3*1-9(2)12-11(14)8-10-4-6-13(3)7-5-10;3*1-9(2)12-11(14)7-10-5-4-6-13(3)8-10;1-11(2)10-12-6-9-13-7-4-3-5-8-13;3*1-8(2)13-9(14)7-10(11)3-5-12-6-4-10;3*1-8(2)11-10(13)6-9-4-5-12(3)7-9;1-5-12(6-2)8-7-11-10(13)9(3)4;3*1-7(2)10-9(12)4-8-5-11(3)6-8;3*1-3(2)4/h6*9-10H,4-8H2,1-3H3,(H,12,14);11-12H,3-10H2,1-2H3;3*8,12H,3-7H2,1-2H3,(H,13,14);3*8-9H,4-7H2,1-3H3,(H,11,13);9H,5-8H2,1-4H3,(H,11,13);3*7-8H,4-6H2,1-3H3,(H,10,12);3*3H,4H2,1-2H3.

What are the key properties of N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine)?

N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine) has a molecular weight of 3408.26 g/mol, XLogP of 18.26, 56 rotatable bonds, 23 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-2-methylpropanamide;tris(2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylazetidin-3-yl)-N-propan-2-ylacetamide);2-methyl-N-(2-piperidin-1-ylethyl)propan-1-amine;tris(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide);tris(propan-2-amine) is sourced from PubChem (CID 159322599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).